![2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine structure](/static/products/5449/54492-21-6.webp)
2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine
TL;DR: 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine (CAS 54492-21-6) is a chemical compound with molecular formula C18H21NS2 and molecular weight 315.11154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine
Also Known As: AE-641/30114012, 11-[[2- ethyl]thio]-6,11-dihydrodibenzo[b,e]thiepin, 11-[[2-(Dimethylamino)ethyl]thio]-6,11-dihydrodibenzo[b,e]thiepin, 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine, 2-(6,11-dihydrodibenzo[b,e]thiepin-11-ylsulfanyl)-n,n-dimethylethanamine
Technical Specifications
| Molecular Formula | C18H21NS2 |
| Molecular Weight | 315.11154 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 53.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.11154 Da |
| Heavy Atoms | 21 |
| Complexity | 320.0 |
| SMILES | CN(C)CCSC1C2=CC=CC=C2CSC3=CC=CC=C13 |
| InChIKey | URTZTFXEBYPGOC-UHFFFAOYSA-N |
Chemical Property Profile of 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine
Property Insights of 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine
The XLogP value of 4.2 indicates that 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.8 Ų, 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine?
The CAS number of 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine is 54492-21-6.
What is the molecular formula of 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine?
The molecular formula of 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine is C18H21NS2.
What is the molecular weight of 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine?
The molecular weight of 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine is 315.11154 g/mol.
Where can I buy 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine?
You can request a quote for 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine?
Yes, CoreyChem provides custom synthesis services for 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-N,N-dimethylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.